3-[(2,6-difluorophenyl)methoxy]azetidine

• ChemBase ID: 46097
• Molecular Formular: C10H11F2NO
• Molecular Mass: 199.1972464
• Monoisotopic Mass: 199.08087042
• SMILES: c1(COC2CNC2)c(F)cccc1F
• Canonical SMILES: Fc1cccc(c1COC1CNC1)F
• InChI: InChI=1S/C10H11F2NO/c11-9-2-1-3-10(12)8(9)6-14-7-4-13-5-7/h1-3,7,13H,4-6H2
• InChIKey: LEWSEAMTYWDDBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2,6-difluorophenyl)methoxy]azetidine
• IUPAC Traditional name: 3-[(2,6-difluorophenyl)methoxy]azetidine
• Synonyms: 3-[(2,6-Difluorobenzyl)oxy]azetidine

Database IDs

• MDL Number: MFCD11874771
• PubChem SID: 162050860
• PubChem CID: 53409378

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2963711
• LogD (pH = 7.4): 0.276605
• Log P: 1.6582651
• Molar Refractivity: 48.4835 cm^3
• Polarizability: 18.580378 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false